Crystallography Open Database

Information card for entry 4337082

Preview

Coordinates	4337082.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H73 K2 N9 Ni2 O7
Calculated formula	C39 H66 K2 N9 Ni2 O7
Title of publication	Huge Magnetic Anisotropy in a Trigonal-Pyramidal Nickel(II) Complex.
Authors of publication	Gómez-Coca, Silvia; Cremades, Eduard; Aliaga-Alcalde, Núria; Ruiz, Eliseo
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	2
Pages of publication	676 - 678
a	18.75 ± 0.011 Å
b	9.636 ± 0.005 Å
c	14.324 ± 0.004 Å
α	90°
β	93.26 ± 0.02°
γ	90°
Cell volume	2584 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0446
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.1088
Weighted residual factors for all reflections included in the refinement	0.1172
Goodness-of-fit parameter for all reflections included in the refinement	1.109
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179473 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/70.	4337082.cif
106147	2014-03-15	cif/ Adding structures of 4337082 via cif-deposit CGI script.	4337082.cif